Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

6X7 : Summary

Code

6X7

One-letter code

X

Molecule name

2,4-dihydroxy-6-methyl Benzoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.5 2-methyl-4,6-bis(oxidanyl)benzoic acid

Formula

C8 H8 O4

Formal charge

0

Molecular weight

168.147 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1cc(O)cc(O)c1C(O)=O
SMILES OpenEye OEToolkits 2.0.5 Cc1cc(cc(c1C(=O)O)O)O
Canonical SMILES CACTVS 3.385 Cc1cc(O)cc(O)c1C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.5 Cc1cc(cc(c1C(=O)O)O)O

IUPAC InChI

InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)

IUPAC InChI key

AMKYESDOVDKZKV-UHFFFAOYSA-N
6X7

wwPDB Information

Atom count

20 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-07-12

Last modified at

2016-08-24

Status

Released

Obsoleted

Not Assigned